SCHEMBL16624655

SCHEMBL16624655

O=S(=O)(O)OCCS(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3ccc4c(O)c(/N=N/c5ccc6ccccc6c5S(=O)(=O)O)c(S(=O)(=O)O)cc4c3S(=O)(=O)O)n2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.43
▸ CYP1A2 P05177 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ MPL P40238 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ CYP2C9 P11712 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ PTPRA P18433 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16624652 0.93 FUT8 (0.43) FUT8CYP1A2ALDH1A1HIF1ACYP2C9
SCHEMBL16624656 0.92 FUT8 (0.52) FUT8CYP1A2ALDH1A1HIF1ACYP2C9
SCHEMBL16624650 0.91 FUT8 (0.44) FUT8ALDH1A1HIF1APHLPP2MEN1
SCHEMBL16624648 0.89 FUT8 (0.58) FUT8CYP1A2ALDH1A1HIF1AMPL
SCHEMBL16624653 0.87 FUT8 (0.41) FUT8PHLPP2CARM1PRMT1ENPP2
SCHEMBL16624642 0.84 FUT8 (0.51) FUT8CYP1A2ALDH1A1HIF1ACYP2C9
SCHEMBL16624643 0.83 FUT8 (0.58) FUT8CYP1A2ALDH1A1HIF1ACYP2C9
SCHEMBL16624661 0.80 FUT8 (0.51) FUT8CYP1A2CYP2C9MAPK1PHLPP2
SCHEMBL8974386 0.78 FUT8 (0.48) FUT8CYP1A2ALDH1A1HIF1AMPL
SCHEMBL16624669 0.78 FUT8 (0.73) FUT8CYP1A2ALDH1A1HIF1ACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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